I am now repeating some runs, and I’m getting very different results in the interaction analysis: Earlier this month I got clear results, with ~ 1/3 of my fixed chain selected residues showing a higher frequency than the others. When I repeat the run now (same parameters, same input files), all my selected residues have the same frequency.
Would you mind to provide the IDs of the runs that present different results (by email or private message)? Did you run them on different resources (CPU vs GPU)?
Thank you for the help previously. It worked once I changed the atom type to ATOM and renamed one of the atoms to “CA”.
For the record, here is the email answer to the failing interaction analysis when analysing ligands:
Unfortunately, in its current version, DisVis analyses interaction by looking for “CA” atoms for each residue listed in the interaction file. This will be changed in the next version (DisVis 3.0) that we will release soon.
In the meantime, one workaround would be to rename one of the ligand atom to “CA” in order to bypass the issue.
We do not exclude that other input parameters might be fine tuned to deal with ligands, we mainly optimised DisVis for protein-protein cases.
Reducing the “Minimum interaction volume” significantly might help you to get better results for instance.
Thanks for your feedback,